[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid [2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C24H21N5O5 MolecularWeight: 459.45404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CN=C4C(=C3)C(=NN4C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CN=C4C(=C3)C(=NN4C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H21N5O5/c1-14-9-10-19(20(11-14)29(32)33)26-23(30)21(16-7-5-4-6-8-16)34-24(31)17-12-18-15(2)27-28(3)22(18)25-13-17/h4-13,21H,1-3H3,(H,26,30)